REMARK  Name = BDB039566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.283  -0.717   0.305  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.334  -0.673  -0.824  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.182  -2.080  -1.212  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.707  -2.894  -0.104  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.165  -2.502   1.208  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.273  -1.942   1.123  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.937   1.238  -0.006  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.716   0.203  -0.851  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -3.527  -0.453  -0.765  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -3.378  -1.586  -1.737  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -2.522  -0.101   0.154  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.803   0.972   1.012  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -4.013   1.656   0.937  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -8.181   2.893   1.045  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -6.848   2.344   1.051  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -6.512   1.935   1.913  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -6.261   1.933  -0.139  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -6.787   2.104  -1.234  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.149  -3.144  -0.123  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.054  -1.940   0.052  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.495  -1.206  -1.061  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        4.325  -0.095  -0.892  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1        4.743   0.620  -2.038  0.00  0.00    -0.322 N 
ATOM     24  H   LIG    1        4.444   0.323  -2.957  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        5.561   1.734  -2.024  0.00  0.00    +0.257 A 
ATOM     26  C   LIG    1        5.993   2.161  -0.703  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1        5.596   1.467   0.484  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.117   2.040   1.621  0.00  0.00    +0.054 A 
ATOM     29  S   LIG    1        7.084   3.412   1.256  0.00  0.00    -0.104 S 
ATOM     30  C   LIG    1        6.805   3.239  -0.424  0.00  0.00    +0.059 A 
ATOM     31  O   LIG    1        5.884   2.303  -3.062  0.00  0.00    -0.267 OA
ATOM     32  C   LIG    1        4.735   0.298   0.400  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        4.311  -0.437   1.508  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1        3.481  -1.548   1.331  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4